4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide

C17H13FN2O2S — CID 51318385

IUPAC4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H13FN2O2S/c18-14-7-5-12(6-8-14)15-9-20-17(22-15)23-10-11-1-3-13(4-2-11)16(19)21/h1-9H,10H2,(H2,19,21)
InChIKeySOUHFLWNUAETNS-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.87
Rot. Bonds5

About 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide

4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide (PubChem CID 51318385) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide
PubChem CID51318385
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H13FN2O2S/c18-14-7-5-12(6-8-14)15-9-20-17(22-15)23-10-11-1-3-13(4-2-11)16(19)21/h1-9H,10H2,(H2,19,21)
InChIKeySOUHFLWNUAETNS-UHFFFAOYSA-N
XLogP3.87
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide?
The IUPAC name of 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide (CID 51318385) is 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide is NC(=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide?
The InChIKey is SOUHFLWNUAETNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-14-7-5-12(6-8-14)15-9-20-17(22-15)23-10-11-1-3-13(4-2-11)16(19)21/h1-9H,10H2,(H2,19,21).
What are the key properties of 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide?
4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide is sourced from PubChem (CID 51318385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).